SCHEMBL15080955

SCHEMBL15080955

CCC(C)(C)OC(=O)[C@](C)(O)CC

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12840763 1.00 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL15779606 0.83 DGAT1 (0.44) TDP1
SCHEMBL15308350 0.83 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL10052299 0.83 DGAT1 (0.44) TDP1
SCHEMBL9064823 0.82 TSHR (0.36) ALDH1A1TSHR
SCHEMBL4234148 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL15160857 0.80 DGAT1 (0.46) ALDH1A1TSHRTDP1
SCHEMBL12888789 0.78 MMP8 (0.30)
SCHEMBL47393 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
Water SCHEMBL27850402 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475999-B2 Compound and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed